SCHEMBL6254532

SCHEMBL6254532

CC(C)(C=O)CCOCc1ccc(COCCC(C)(C)CO)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
CHRM3 P20309 5/20 0.33
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6256595 0.87 KDM4E (0.38) PTPN2PTPN1PTPN6CHRM3KDM4E
SCHEMBL3951532 0.79 KDM4E (0.50) CHRM3KDM4EPOLBALDH1A1TSHR
SCHEMBL6259760 0.78 SMN1; SMN2 (0.41) KDM4EPOLBALDH1A1MEN1CYP3A4
SCHEMBL24787885 0.77 PPARG (0.49) ALDH1A1MEN1KMT2APPARGPPARA
SCHEMBL6258448 0.74
SCHEMBL6258446 0.74
SCHEMBL12162462 0.72 KDM4E (0.46) CHRM3KDM4EPOLBTSHR
SCHEMBL31032430 0.71 L3MBTL1 (0.46) ALDH1A1TSHR
SCHEMBL4059251 0.70 KDM4E (0.47) CHRM3KDM4EPOLBTSHR
SCHEMBL6258960 0.69 PTPN2 (0.40) PTPN2PTPN1PTPN6CHRM3ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO claimed
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2004-09-30 US claimed
JP-2004529069-A 2004-09-24 JP claimed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP claimed
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-01-23 US claimed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO claimed
CN-1894195-A Ether compounds and compositions for cholesterol control and related uses ESPERION THERAPEUTICS INC (US) 2007-01-10 CN disclosed
WO-2005068410-A1 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2005-07-28 WO disclosed
EP-1351916-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES Esperion Therapeutics Inc. (US) 2003-10-15 EP disclosed
WO-2002030863-A2 ETHER COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030018013-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 PTPN2 903/4885PTPN1 681/4885PTPN6 804/4885
US-20040192771-A1 Ether compounds and compositions for cholesterol management and related uses GPR119, PNLIP, NR1H2 PTPN2 903/4885PTPN1 681/4885PTPN6 804/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.